FT-IR, FT-Raman spectra and other molecular properties of 3,5-dichlorobenzonitrile: A DFT study

2013 ◽  
Vol 116 ◽  
pp. 509-517 ◽  
Author(s):  
M. Alcolea Palafox ◽  
V. Bena Jothy ◽  
Surabhi Singhal ◽  
I. Hubert Joe ◽  
Satendra Kumar ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Molecular Properties ◽  
Dft Study ◽  
Ft Ir ◽  
Ft Raman

FT-IR, FT-Raman spectra and other molecular properties of 2,4- dichlorobenzonitrile: A interpretation by a DFT study

2014 ◽  
Vol 123 ◽  
pp. 89-97 ◽  
Author(s):  
D. Kattan ◽  
M. Alcolea Palafox ◽  
S. Kumar ◽  
D. Manimaran ◽  
Hubert Joe ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Molecular Properties ◽  
Dft Study ◽  
Ft Ir ◽  
Ft Raman

FT-IR and FT-Raman spectra, MEP and HOMO–LUMO of 2,5-dichlorobenzonitrile: DFT study

2015 ◽  
Vol 136 ◽  
pp. 464-472 ◽  
Author(s):  
M. Alcolea Palafox ◽  
Daisy Bhat ◽  
Yasha Goyal ◽  
Shabbir Ahmad ◽  
I. Hubert Joe ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Dft Study ◽  
Ft Ir ◽  
Homo Lumo ◽  
Ft Raman

FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4-N,N′-dimethylamino pyridine

2008 ◽  
Vol 71 (3) ◽  
pp. 898-906 ◽  
Author(s):  
N. Sundaraganesan ◽  
S. Kalaichelvan ◽  
C. Meganathan ◽  
B. Dominic Joshua ◽  
J. Cornard
Keyword(s):  
Dft Calculations ◽  
Ab Initio ◽  
Raman Spectra ◽  
Ft Ir ◽  
Hf And Dft Calculations ◽  
Ab Initio Hf ◽  
Ft Raman
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